N-[(4-Chlorophenyl)Carbamoyl]-2,6-Difluoro-Benzamide
[CAS# 66594-18-1]

Identification

• Name: N-[(4-Chlorophenyl)Carbamoyl]-2,6-Difluoro-Benzamide
• Synonyms: N-[[(4-Chlorophenyl)Amino]-Oxomethyl]-2,6-Difluorobenzamide; Dimilin G1; N-[(4-Chlorophenyl)Carbamoyl]-2,6-Difluoro-Benzamide
• Molecular Formula: C₁₄H₉ClF₂N₂O₂
• Molecular Weight: 310.69
• CAS Registry Number: 66594-18-1
• SMILES: C1=CC=C(C(=C1F)C(NC(NC2=CC=C(C=C2)Cl)=O)=O)F
• InChI: 1S/C14H9ClF2N2O2/c15-8-4-6-9(7-5-8)18-14(21)19-13(20)12-10(16)2-1-3-11(12)17/h1-7H,(H2,18,19,20,21)
• InChIKey: QQQYTWIFVNKMRW-UHFFFAOYSA-N

Properties

• Density: 1.5±0.1g/cm³ (Cal.)

References

• (1): Igor V. Tetko, Vsevolod Yu. Tanchuk, Tamara N. Kasheva, and Alessandro E. P. Villa. Estimation of Aqueous Solubility of Chemical Compounds Using E-State Indices, J. Chem. Inf. Comput. Sci., 2001, 41 (6), pp 1488–1493